N-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide

C12H21F3N2O — CID 115518172

IUPACN-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide
SMILESO=C(CNCCCC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)7-4-8-16-9-11(18)17-10-5-2-1-3-6-10/h10,16H,1-9H2,(H,17,18)
InChIKeyUKFHAYCHKBIUIT-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.37
Rot. Bonds6

About N-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide

N-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide (PubChem CID 115518172) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide
PubChem CID115518172
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide
SMILESO=C(CNCCCC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)7-4-8-16-9-11(18)17-10-5-2-1-3-6-10/h10,16H,1-9H2,(H,17,18)
InChIKeyUKFHAYCHKBIUIT-UHFFFAOYSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-2-(4,4,4-trifluorobutylamino)acetamide
CID 113327343
N-cyclopentyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
CID 114187749
N-cyclohexyl-2-(hexadecylamino)acetamide
CID 54808904
N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide
CID 63964270
N-cyclohexyl-2-(3-methoxypropylamino)acetamide
CID 43089974
N-cycloheptyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
CID 106176276
2-(3-butoxypropylamino)-N-cycloheptylacetamide
CID 115571481
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide
CID 43553526
N-cyclopentyl-2-(4-hydroxypentylamino)acetamide
CID 106131018
2-[3-[cyclohexyl(methyl)amino]propylamino]-N-cyclopentylacetamide
CID 60980547
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N-(cyclohexylmethyl)-4,4,4-trifluorobutan-1-amine
CID 115486702

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide?
The IUPAC name of N-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide (CID 115518172) is N-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide is O=C(CNCCCC(F)(F)F)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide?
The InChIKey is UKFHAYCHKBIUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c13-12(14,15)7-4-8-16-9-11(18)17-10-5-2-1-3-6-10/h10,16H,1-9H2,(H,17,18).
What are the key properties of N-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide?
N-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide has a molecular weight of 266.31 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide is sourced from PubChem (CID 115518172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).